methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-phenethylimino-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-phenethylimino-cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxo-4-phenethylimino-cyclohexanecarboxylate CAS Name: (1S)-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-4-phenethylimino-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxo-4-phenethyliminocyclohexane-1-carboxylate Traditional Name: (1S)-5-butyryl-6-keto-2,2-dimethyl-4-phenethylimino-cyclohexanecarboxylic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=NCCC2=CC=CC=C2)CC(C(C1=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)C1C(=NCCC2=CC=CC=C2)CC([C@@H](C1=O)C(=O)OC)(C)C

InChI

InChI=1S/C22H29NO4/c1-5-9-17(24)18-16(23-13-12-15-10-7-6-8-11-15)14-22(2,3)19(20(18)25)21(26)27-4/h6-8,10-11,18-19H,5,9,12-14H2,1-4H3/t18?,19-/m0/s1